VKE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | C13 | sing | 1.36Å | 1.41Å | |
| O14 | C15 | sing | 1.44Å | 1.38Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| O10 | C11 | sing | 1.35Å | 1.30Å | |
| O10 | C08 | sing | 1.34Å | 1.28Å | |
| O09 | C08 | doub | 1.22Å | 1.14Å | |
| C13 | C17 | sing | 1.40Å | 1.35Å | Aromatic |
| C11 | C19 | doub | 1.41Å | 1.34Å | Aromatic |
| C08 | C07 | sing | 1.41Å | 1.36Å | |
| C15 | O16 | sing | 1.44Å | 1.40Å | |
| C17 | O16 | sing | 1.37Å | 1.40Å | |
| C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C06 | sing | 1.46Å | 1.38Å | |
| C07 | C06 | doub | 1.36Å | 1.35Å | |
| C06 | C05 | sing | 1.51Å | 1.50Å | |
| C05 | P02 | sing | 1.82Å | 1.86Å | |
| O01 | P02 | doub | 1.48Å | 1.47Å | |
| O04 | P02 | sing | 1.61Å | 1.50Å | |
| P02 | O03 | sing | 1.61Å | 1.32Å | |
| C05 | H1 | sing | 1.09Å | 1.10Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| O03 | H7 | sing | 0.97Å | 0.95Å | |
| O04 | H8 | sing | 0.97Å | 0.95Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | O14 | C15 | 106.7° | 105.6° |
| O14 | C13 | C12 | 130.2° | 131.2° |
| O14 | C13 | C17 | 109.4° | 108.4° |
| O14 | C15 | O16 | 107.5° | 103.9° |
| O14 | C15 | H5 | 110.0° | 110.5° |
| O14 | C15 | H9 | 110.0° | 110.7° |
| C13 | C12 | C11 | 118.2° | 120.1° |
| C12 | C13 | C17 | 120.4° | 120.4° |
| C13 | C12 | H4 | 120.9° | 119.9° |
| C12 | C11 | O10 | 116.8° | 120.6° |
| C12 | C11 | C19 | 122.2° | 119.6° |
| C11 | C12 | H4 | 120.9° | 120.0° |
| C11 | O10 | C08 | 121.2° | 121.5° |
| O10 | C11 | C19 | 121.0° | 119.8° |
| O10 | C08 | O09 | 116.4° | 119.1° |
| O10 | C08 | C07 | 119.2° | 121.7° |
| O09 | C08 | C07 | 124.4° | 119.2° |
| C13 | C17 | O16 | 107.8° | 108.5° |
| C13 | C17 | C18 | 121.2° | 120.1° |
| C11 | C19 | C18 | 119.8° | 120.0° |
| C11 | C19 | C06 | 120.3° | 119.0° |
| C08 | C07 | C06 | 122.3° | 119.8° |
| C08 | C07 | H3 | 118.8° | 120.1° |
| C15 | O16 | C17 | 108.0° | 105.5° |
| O16 | C15 | H5 | 110.0° | 110.6° |
| O16 | C15 | H9 | 110.0° | 110.6° |
| O16 | C17 | C18 | 130.9° | 131.3° |
| C17 | C18 | C19 | 118.1° | 119.8° |
| C17 | C18 | H6 | 120.9° | 120.1° |
| C18 | C19 | C06 | 119.9° | 121.0° |
| C19 | C18 | H6 | 120.9° | 120.2° |
| C19 | C06 | C07 | 114.5° | 118.2° |
| C19 | C06 | C05 | 122.2° | 120.9° |
| C07 | C06 | C05 | 121.7° | 120.9° |
| C06 | C07 | H3 | 118.9° | 120.1° |
| C06 | C05 | P02 | 108.7° | 109.4° |
| C06 | C05 | H1 | 109.7° | 109.5° |
| C06 | C05 | H2 | 109.7° | 109.5° |
| C05 | P02 | O01 | 106.9° | 109.5° |
| C05 | P02 | O04 | 106.0° | 109.5° |
| C05 | P02 | O03 | 109.3° | 109.5° |
| P02 | C05 | H1 | 109.7° | 109.4° |
| P02 | C05 | H2 | 109.7° | 109.5° |
| O01 | P02 | O04 | 112.1° | 109.5° |
| O01 | P02 | O03 | 114.9° | 109.4° |
| O04 | P02 | O03 | 107.2° | 109.5° |
| P02 | O04 | H8 | 109.5° | 114.0° |
| P02 | O03 | H7 | 109.5° | 114.0° |
| H1 | C05 | H2 | 109.5° | 109.5° |
| H5 | C15 | H9 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | C13 | C12 | C17 | 179.0° | 179.9° |
| O14 | C13 | C12 | C11 | 179.3° | 180.0° |
| C13 | O14 | C15 | O16 | 7.0° | 27.4° |
| O14 | C13 | C17 | O16 | 1.9° | 0.0° |
| O14 | C13 | C17 | C18 | 178.3° | 179.9° |
| O14 | C13 | C12 | H4 | 0.7° | 0.1° |
| C13 | O14 | C15 | H5 | 126.7° | 146.0° |
| C13 | O14 | C15 | H9 | 112.7° | 91.3° |
| C15 | O14 | C13 | C12 | 175.9° | 162.6° |
| C15 | O14 | C13 | C17 | 3.2° | 17.4° |
| O14 | C15 | O16 | H5 | 119.7° | 118.5° |
| O14 | C15 | O16 | H9 | 119.7° | 118.8° |
| O14 | C15 | O16 | C17 | 8.2° | 27.4° |
| O14 | C15 | H5 | H9 | 120.9° | 122.8° |
| C13 | C12 | C11 | H4 | 180.0° | 179.9° |
| C13 | C12 | C11 | O10 | 179.4° | 179.9° |
| C13 | C12 | C11 | C19 | 0.7° | 0.2° |
| C12 | C13 | C17 | O16 | 178.9° | 180.0° |
| C12 | C13 | C17 | C18 | 2.5° | 0.0° |
| C12 | C11 | O10 | C19 | 178.8° | 179.9° |
| C12 | C11 | O10 | C08 | 169.5° | 179.7° |
| C11 | C12 | C13 | C17 | 1.7° | 0.1° |
| C12 | C11 | C19 | C18 | 0.5° | 0.1° |
| C12 | C11 | C19 | C06 | 177.3° | 179.9° |
| C11 | O10 | C08 | O09 | 175.1° | 179.8° |
| C11 | O10 | C08 | C07 | 6.0° | 0.2° |
| O10 | C11 | C19 | C18 | 179.2° | 180.0° |
| O10 | C11 | C19 | C06 | 1.4° | 0.0° |
| O10 | C11 | C12 | H4 | 0.5° | 0.0° |
| O10 | C08 | O09 | C07 | 178.9° | 180.0° |
| C08 | O10 | C11 | C19 | 9.3° | 0.2° |
| O10 | C08 | C07 | C06 | 5.4° | 0.1° |
| O10 | C08 | C07 | H3 | 174.6° | 180.0° |
| O09 | C08 | C07 | C06 | 173.5° | 180.0° |
| O09 | C08 | C07 | H3 | 6.6° | 0.0° |
| C13 | C17 | O16 | C15 | 6.2° | 17.4° |
| C13 | C17 | O16 | C18 | 176.0° | 179.9° |
| C13 | C17 | C18 | C19 | 2.3° | 0.1° |
| C17 | C13 | C12 | H4 | 178.3° | 180.0° |
| C13 | C17 | C18 | H6 | 177.7° | 180.0° |
| C11 | C19 | C18 | C17 | 1.3° | 0.0° |
| C11 | C19 | C18 | C06 | 177.8° | 179.9° |
| C11 | C19 | C06 | C07 | 9.0° | 0.3° |
| C11 | C19 | C06 | C05 | 175.0° | 179.9° |
| C19 | C11 | C12 | H4 | 179.3° | 180.0° |
| C11 | C19 | C18 | H6 | 178.8° | 179.9° |
| C08 | C07 | C06 | C19 | 12.4° | 0.3° |
| C08 | C07 | C06 | H3 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 178.5° | 180.0° |
| C15 | O16 | C17 | C18 | 177.8° | 162.5° |
| O16 | C15 | H5 | H9 | 120.9° | 122.8° |
| O16 | C17 | C18 | C19 | 177.8° | 180.0° |
| C17 | O16 | C15 | H5 | 127.9° | 145.9° |
| O16 | C17 | C18 | H6 | 2.2° | 0.1° |
| C17 | O16 | C15 | H9 | 111.5° | 91.4° |
| C17 | C18 | C19 | H6 | 180.0° | 179.9° |
| C17 | C18 | C19 | C06 | 176.6° | 180.0° |
| C18 | C19 | C06 | C07 | 168.9° | 179.8° |
| C18 | C19 | C06 | C05 | 2.8° | 0.1° |
| C19 | C06 | C07 | C05 | 166.1° | 179.7° |
| C19 | C06 | C05 | P02 | 107.4° | 179.7° |
| C19 | C06 | C05 | H1 | 12.5° | 60.4° |
| C19 | C06 | C05 | H2 | 132.7° | 59.7° |
| C19 | C06 | C07 | H3 | 167.6° | 179.7° |
| C06 | C19 | C18 | H6 | 3.4° | 0.0° |
| C07 | C06 | C05 | P02 | 87.5° | 0.0° |
| C07 | C06 | C05 | H1 | 152.6° | 120.0° |
| C07 | C06 | C05 | H2 | 32.4° | 120.0° |
| C06 | C05 | P02 | H1 | 119.9° | 120.0° |
| C06 | C05 | P02 | H2 | 119.9° | 120.0° |
| C06 | C05 | P02 | O01 | 53.2° | 55.0° |
| C06 | C05 | P02 | O04 | 66.6° | 175.0° |
| C06 | C05 | P02 | O03 | 178.2° | 65.0° |
| C06 | C05 | H1 | H2 | 120.4° | 120.0° |
| C05 | C06 | C07 | H3 | 1.5° | 0.1° |
| C05 | P02 | O01 | O04 | 115.8° | 120.0° |
| C05 | P02 | O01 | O03 | 121.5° | 120.0° |
| C05 | P02 | O04 | O03 | 116.7° | 120.0° |
| P02 | C05 | H1 | H2 | 120.3° | 120.0° |
| C05 | P02 | O03 | H7 | 120.2° | 60.0° |
| C05 | P02 | O04 | H8 | 116.3° | 180.0° |
| O01 | P02 | O04 | O03 | 127.0° | 120.0° |
| O01 | P02 | C05 | H1 | 173.1° | 175.0° |
| O01 | P02 | C05 | H2 | 66.7° | 65.0° |
| O01 | P02 | O03 | H7 | 0.0° | 180.0° |
| O01 | P02 | O04 | H8 | 0.0° | 60.0° |
| O04 | P02 | C05 | H1 | 53.3° | 65.0° |
| O04 | P02 | C05 | H2 | 173.5° | 55.0° |
| O04 | P02 | O03 | H7 | 125.3° | 60.0° |
| O03 | P02 | C05 | H1 | 62.0° | 55.0° |
| O03 | P02 | C05 | H2 | 58.3° | 175.0° |
| O03 | P02 | O04 | H8 | 127.0° | 60.0° |
